SCHEMBL8915063

SCHEMBL8915063

S=C(NCCCCCCNc1ccccc1)Nc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.58
HRH2 P25021 1/20 0.56
KMT2A Q03164 2/20 0.56
QPCT Q16769 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
BCL6 P41182 1/20 0.49
LSS P48449 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8915308 0.99 CA9 (0.60) CA9HRH2KMT2AQPCTLMNA
SCHEMBL7966915 0.88 CA9 (0.54) CA9HRH2KMT2AQPCTLMNA
SCHEMBL7904143 0.84 KMT2A (0.71) CA9HRH2KMT2ALMNAGAA
SCHEMBL7901763 0.84 KMT2A (0.71) CA9HRH2KMT2ALMNAGAA
SCHEMBL7104425 0.84 HDAC4 (0.63) ALDH1A1L3MBTL1MAPT
SCHEMBL8916068 0.82 L3MBTL1 (0.56) CA9HRH2KMT2AQPCTLMNA
SCHEMBL8916892 0.82 L3MBTL1 (0.56) CA9HRH2KMT2AQPCTLMNA
SCHEMBL8052257 0.82 L3MBTL1 (0.56) CA9HRH2KMT2AQPCTLMNA
SCHEMBL8917236 0.82 L3MBTL1 (0.56) CA9HRH2KMT2AQPCTLMNA
SCHEMBL8916496 0.82 L3MBTL1 (0.56) CA9HRH2KMT2AQPCTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed